(1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl)oxycarbonyl-(2-phenylphenyl)azanium bromide

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl)oxycarbonyl-(2-phenylphenyl)azanium bromide Openeye Name: (1-methylquinuclidin-1-ium-2-yl)oxycarbonyl-(2-phenylphenyl)ammonium bromide CAS Name: [(1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl)oxy-oxomethyl]-(2-phenylphenyl)ammonium bromide IUPAC Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl)oxycarbonyl-(2-phenylphenyl)azanium bromide Traditional Name: (1-methylquinuclidin-1-ium-2-yl)oxycarbonyl-(2-phenylphenyl)ammonium bromide Formula: C21H26BrN2O2+ MolecularWeight: 418.34734

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)CC2OC(=O)[NH2+]C3=CC=CC=C3C4=CC=CC=C4.[Br-]

Isomeric SMILES

C[N+]12CCC(CC1)CC2OC(=O)[NH2+]C3=CC=CC=C3C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C21H24N2O2.BrH/c1-23-13-11-16(12-14-23)15-20(23)25-21(24)22-19-10-6-5-9-18(19)17-7-3-2-4-8-17;/h2-10,16,20H,11-15H2,1H3;1H/p+1